4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one

C14H15F2N3O — CID 135434827

IUPAC4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1
InChIInChI=1S/C14H15F2N3O/c1-7(11-9(15)5-4-6-10(11)16)12-8(2)13(20)19-14(17-3)18-12/h4-7H,1-3H3,(H2,17,18,19,20)
InChIKeyBLHDIDUMQBLDPD-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.55
Rot. Bonds3

About 4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one

4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 135434827) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one
PubChem CID135434827
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1
InChIInChI=1S/C14H15F2N3O/c1-7(11-9(15)5-4-6-10(11)16)12-8(2)13(20)19-14(17-3)18-12/h4-7H,1-3H3,(H2,17,18,19,20)
InChIKeyBLHDIDUMQBLDPD-UHFFFAOYSA-N
XLogP2.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one (CID 135434827) is 4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one is CNc1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1.
What is the InChIKey of 4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is BLHDIDUMQBLDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-7(11-9(15)5-4-6-10(11)16)12-8(2)13(20)19-14(17-3)18-12/h4-7H,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one?
4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 279.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135434827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).